Michael Thomas Flanagan's Java Scientific Library

IonicRadii Class:      Ionic Radii

      

Last update: 11 December2007
Main Page of Michael Thomas Flanagan's Java Scientific Library

This class contains methods for returning: Reference
The ionic radii are taken from the Indiana University Molecular Structure Center Web Site (Retrieved on 1st November 2004 from the World Wide Web: http://www.iumsc.indiana.edu/radii.html) who took the values from Shannon,R.D. (1976) `Revised effective ionic radii in halides and chalcogenides', Acta Cryst. A32, 751.

import directive: import flanagan.physprop.IonicRadii;

SUMMARY OF METHODS
Return an ionic radius public static double radius(String ion)
public static double radius(String ion, String spinState)
Return a hydrated ionic radius public static double hydratedRadius(String ion)
Return the charge of the ion public static int charge(String ion)

METHODS

 OBTAINING AN IONIC RADIUS (BARE RADIUS)
public static double radius(String ion)
public static double radius(String ion, String spinState)
Usage:                      double radius = ionicRadii.radius(ion);
A method for returning the bare ionic radius, in metres, of an ion passed as the String argument, ion.
The ion may be entered as the atomic symbol [see list above], e.g. Ag, or symbols, e.g. NH4, followed by the valency. This combination of symbol and valency may be represented in any of the following ways, e.g. Ca(+2), Ca(2+), Ca(++), Ca+2, Ca2+ or Ca++, e.g. radius = ionRad.radius("Ca(+2)"). If the ion may exist in a low spin or high spin state, i.e. Co(+2), Co(+3), Cr(+2), Fe(+2), Fe(+3), Mn(+2), Mn(+3), use the method described immediately below.

Usage:                      double radius = ionicRadii.radius(ion, spinState);
A method for returning the ionic radius, in metres, of an ion, that may exist in either a low or high spin state, i.e.Co(+2), Co(+3), Cr(+2), Fe(+2), Fe(+3), Mn(+2), Mn(+3), passed as the String arguments, ion and spinState.
The ion may be entered, via the first argument, ion, as the atomic symbol [see list above], e.g. Co, followed by the valency. This combination of symbol and valency may be represented in any of the following ways, e.g. Co(+2), Co(2+), Co(++), Co+2, Co2+ or Co++.
The spin state must be entered, via the second argument, spinState, as ls for low spin or hs for high spin, e.g. radius = ionRad.radius("Co(+2)", "ls").
A value of 0.0D is reurned if the ion is not found in the non-hydrated ion list [first two lists at the top of this page] and a warning message, to this effect, is written to the standard output screen.

OBTAINING A HYDRATED IONIC RADIUS
public static double hydratedRadius(String ion)
Usage:                      double radius = ionicRadius.hydratedRadius(ion);
A method for returning the hydrated ionic radius, in metres, of an ion passed as the String argument, ion.
The ion may be entered as the atomic symbol [see list above], e.g. Ag, or symbols, e.g. NO3, followed by the valency. This combination of symbol and valency may be represented in any of the following ways, e.g. Ca(+2), Ca(2+), Ca(++), Ca+2, Ca2+ or Ca++, e.g. radius = ionRad.hydratedRadius("Ca(+2)").
A value of 0.0D is reurned if the ion is not found in the hydrated ion list [third and fourth lists at the top of this page] and a warning message, to this effect, is written to the standard output screen.

RETURNING THE CHARGE OF THE ION
public static int charge(String ion)
Usage:                      double charge = ionicRadius.charge(ion);
A method for returning the charge, e.g. +2 for Ca++, -1 for F- , of an ion passed as the String argument, ion.
The ion may be entered as the atomic symbol [must be listed in the first two lists at the top of this page], e.g. Ag, or symbols, e.g. NO3, followed by the valency. This combination of symbol and valency may be represented in any of the following ways, e.g. Ca(+2), Ca(2+), Ca(++), Ca+2, Ca2+ or Ca++, e.g. charge = ionRad.charge("Ca(+2)"). This method has been included for use with other classes performing electrostatic calculations on ionic solutions.
A value of 0 is reurned if the ion is not found in the non-hydrated ion list [first two lists at the top of this page] and a warning message, to this effect, is written to the standard output screen.


OTHER CLASSES USED BY THIS CLASS

 This class uses the following classes in this library:


This page was prepared by Dr Michael Thomas Flanagan